Glycoside
GD100661
Name:
NoneFormula:
C18H18O8N3ClS2Smiles:
O=S(=O)(Nc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)c1c(Cl)nc2sccn12Aglycone:
O=S(=O)(Nc1ccc(O)cc1)c1c(Cl)nc2sccn12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 491.93 | Num_heavy_atoms: | 31 |
| TPSA: | 162.85 | NumAromaticRings: | 3 |
Unique Aglycone
AD42496
Formula: C12H8O3N3ClS2
Smiles:
O=S(=O)(Nc1ccc(O)cc1)c1c(Cl)nc2sccn12| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 3 |
| MolWt: | 329.79 | Num_heavy_atoms: | 20 |
| TPSA: | 83.7 | NumAromaticRings: | 3 |
